2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole

C9H8N2O3S — CID 4739110

IUPAC2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H8N2O3S/c1-15(12,13)9-11-10-8(14-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyMKQYZKKQQDPLOD-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.14
Rot. Bonds2

About 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole

2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 4739110) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
PubChem CID4739110
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H8N2O3S/c1-15(12,13)9-11-10-8(14-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyMKQYZKKQQDPLOD-UHFFFAOYSA-N
XLogP1.14
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]methanethiol
CID 170081196
2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole
CID 73212123
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 47096897
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
sodium;2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole;2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole;oxolane;phenylmethanolate;2-phenyl-5-phenylmethoxy-1,3,4-oxadiazole
CID 159491352
2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-(4-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 16722696
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole (CID 4739110) is 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole is CS(=O)(=O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MKQYZKKQQDPLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-15(12,13)9-11-10-8(14-9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole?
2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 224.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 4739110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).